2-[(4-bromanyl-3-methyl-phenyl)-(phenylsulfonyl)amino]ethanoic acid

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)-(phenylsulfonyl)amino]ethanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-4-bromo-3-methyl-anilino]acetic acid CAS Name: 2-[N-(benzenesulfonyl)-4-bromo-3-methylanilino]acetic acid IUPAC Name: 2-[N-(benzenesulfonyl)-4-bromo-3-methylanilino]acetic acid Traditional Name: 2-(N-besyl-4-bromo-3-methyl-anilino)acetic acid Formula: C15H14BrNO4S MolecularWeight: 384.24496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2)Br

InChI

InChI=1S/C15H14BrNO4S/c1-11-9-12(7-8-14(11)16)17(10-15(18)19)22(20,21)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,19)